Geometry & MOs

Info

ID:	77969
PubChem CID:	49681270
Reduced:	S2N4O5C12H18 (1)
Stoich.:	A2B4C5D12E18 (1)
Weight, g/mol:	401.98198
ΔH_f, kcal/mol:	-162.49
Dipole, Da:	3.69
IP(EA), eV:	-9.39(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyethyl)urea

Drug info:

PubChemData

Smile

CCOC(=O)CC(=O)CSC1=NN=C(S1)NC(=O)NCCOC

DOS

IR

Vibrations